methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate

C12H17NO3 — CID 60873905

IUPACmethyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
SMILESCCOc1cccc(C(NC)C(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-4-16-10-7-5-6-9(8-10)11(13-2)12(14)15-3/h5-8,11,13H,4H2,1-3H3
InChIKeySAOTYXUUTLUSQU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.52
Rot. Bonds5

About methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate

methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate (PubChem CID 60873905) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
PubChem CID60873905
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
SMILESCCOc1cccc(C(NC)C(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-4-16-10-7-5-6-9(8-10)11(13-2)12(14)15-3/h5-8,11,13H,4H2,1-3H3
InChIKeySAOTYXUUTLUSQU-UHFFFAOYSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate (CID 60873905) is methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate is CCOc1cccc(C(NC)C(=O)OC)c1.
What is the InChIKey of methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate?
The InChIKey is SAOTYXUUTLUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-16-10-7-5-6-9(8-10)11(13-2)12(14)15-3/h5-8,11,13H,4H2,1-3H3.
What are the key properties of methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate?
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate has a molecular weight of 223.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 60873905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).